N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine

C64H40N2O2 — CID 146508487

About N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 146508487) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
• PubChem CID: 146508487
• Molecular Formula: C64H40N2O2
• Molecular Weight: 869.04 g/mol
• Exact Mass: 868.31
• IUPAC Name: N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
• SMILES: c1ccc(-c2c3ccccc3n3cc4ccccc4c(-c4ccc(-c5cccc(-c6cccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)c6)c5)cc4)c23)cc1
• InChI: InChI=1S/C64H40N2O2/c1-2-14-42(15-3-1)63-56-24-6-9-25-57(56)65-40-47-16-4-5-21-51(47)62(64(63)65)43-30-28-41(29-31-43)44-17-12-18-45(36-44)46-19-13-20-48(37-46)66(49-32-34-54-52-22-7-10-26-58(52)67-60(54)38-49)50-33-35-55-53-23-8-11-27-59(53)68-61(55)39-50/h1-40H
• InChIKey: ZCVPEAVGAKUQCF-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 33.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.04
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine (CID 146508487) is N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2c3ccccc3n3cc4ccccc4c(-c4ccc(-c5cccc(-c6cccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)c6)c5)cc4)c23)cc1.

What is the InChIKey of N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?

The InChIKey is ZCVPEAVGAKUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-14-42(15-3-1)63-56-24-6-9-25-57(56)65-40-47-16-4-5-21-51(47)62(64(63)65)43-30-28-41(29-31-43)44-17-12-18-45(36-44)46-19-13-20-48(37-46)66(49-32-34-54-52-22-7-10-26-58(52)67-60(54)38-49)50-33-35-55-53-23-8-11-27-59(53)68-61(55)39-50/h1-40H.

What are the key properties of N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?

N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine has a molecular weight of 869.04 g/mol, XLogP of 18.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 146508487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).